Crystallography Open Database

Information card for entry 2238690

Preview

Coordinates	2238690.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-{(<i>E</i>)-[(2<i>Z</i>)-2-(1,2-Dihydrophthalazin-1-ylidene)hydrazinylidene]methyl}phenol
Formula	C15 H12 N4 O
Calculated formula	C15 H12 N4 O
Title of publication	2-{(<i>E</i>)-[(2<i>Z</i>)-2-(1,2-Dihydrophthalazin-1-ylidene)hydrazinylidene]methyl}phenol
Authors of publication	Prasanna, M. K.; Sithambaresan, M.; Pradeepkumar, K.; Kurup, M. R. Prathapachandra
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	o1522 - o1523
a	6.8028 ± 0.0012 Å
b	8.4263 ± 0.0013 Å
c	11.868 ± 0.002 Å
α	89.774 ± 0.009°
β	83.113 ± 0.009°
γ	70.356 ± 0.008°
Cell volume	635.6 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1174
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238690.cif
89650	2013-11-06	cif/ Adding structures of 2238690 via cif-deposit CGI script.	2238690.cif